Vitas-M small molecule compound

11-(2,4-dichlorophenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK868244
SMILES Clc1ccc(c(c1)Cl)C1C2=C(Nc3c(N1C(=O)Cc1ccccc1)cccc3)CC(CC2=O)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H26Cl2N2O2 MW 505.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26Cl2N2O2/c1-29(2)16-23-27(25(34)17-29)28(20-13-12-19(30)15-21(20)31)33(24-11-7-6-10-22(24)32-23)26(35)14-18-8-4-3-5-9-18/h3-13,15,28,32H,14,16-17H2,1-2H3
InChIKey
BEWNKUUMGFIUBN-UHFFFAOYSA-N
Synonyms
371946-55-3
11(24dichlorophenyl)33dimethyl10(2phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(24dichlorophenyl)33dimethyl10(phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
371946553
6(24dichlorophenyl)99dimethyl5(2phenylacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl)C(=O)C1)C
InChI=1SC29H26Cl2N2O2c129(2)162327(25(34)1729)28(20131219(30)1521(20)31)33(2411761022(24)3223)26(35)14188435918h313152832H141617H212H3
MFCD01455677
ZINC000009034242
ZINC000009082843

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.